1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene

C14H17Br3 — CID 55200090

IUPAC1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene
SMILESBrc1ccc(Br)c(C(Br)CCC2CCCC2)c1
InChIInChI=1S/C14H17Br3/c15-11-6-8-14(17)12(9-11)13(16)7-5-10-3-1-2-4-10/h6,8-10,13H,1-5,7H2
InChIKeyUXBWFCNEHYYUGW-UHFFFAOYSA-N
MW425.00 g/mol
LogP6.62
Rot. Bonds4

About 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene

1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene (PubChem CID 55200090) has the molecular formula C14H17Br3 and a molecular weight of 425.00 g/mol. Its IUPAC name is 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene.

Molecular Properties

Compound Name1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene
PubChem CID55200090
Molecular FormulaC14H17Br3
Molecular Weight425.00 g/mol
Exact Mass421.89
IUPAC Name1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene
SMILESBrc1ccc(Br)c(C(Br)CCC2CCCC2)c1
InChIInChI=1S/C14H17Br3/c15-11-6-8-14(17)12(9-11)13(16)7-5-10-3-1-2-4-10/h6,8-10,13H,1-5,7H2
InChIKeyUXBWFCNEHYYUGW-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.00
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
CID 63435537
4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
CID 63442742
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine
CID 114193446
1-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene
CID 63441829
1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
CID 63438485
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene
CID 63542059
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
CID 43184859
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
8-(1-bromo-3-cyclopentylpropyl)-7-chloro-3,4-dihydro-2H-1,5-benzodioxepine
CID 63444731

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene?
The IUPAC name of 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene (CID 55200090) is 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene.
What is the SMILES notation for 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene?
The canonical SMILES for 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene is Brc1ccc(Br)c(C(Br)CCC2CCCC2)c1.
What is the InChIKey of 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene?
The InChIKey is UXBWFCNEHYYUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br3/c15-11-6-8-14(17)12(9-11)13(16)7-5-10-3-1-2-4-10/h6,8-10,13H,1-5,7H2.
What are the key properties of 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene?
1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene has a molecular weight of 425.00 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene is sourced from PubChem (CID 55200090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).